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	hartrees
Energy at 0K	-253.849621
Energy at 298.15K	-253.852204
HF Energy	-253.849621
Nuclear repulsion energy	78.731893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3367	6.18
2	A'	1451	1320	61.22
3	A'	1195	1088	41.77
4	A'	597	544	3.62
5	A"	1657	1508	13.98
6	A"	1155	1051	192.63

Atom	x (Å)	y (Å)	z (Å)
N1	0.036	0.560	0.000
H2	-0.905	0.908	0.000
F3	0.036	-0.268	1.058
F4	0.036	-0.268	-1.058

	N1	H2	F3	F4
N1		1.0035	1.3440	1.3440
H2	1.0035		1.8411	1.8411
F3	1.3440	1.8411		2.1161
F4	1.3440	1.8411	2.1161

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	102.335		H2	N1	F4	102.335
F3	N1	F4	103.856

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: HF/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	0.276
2	H	0.147
3	F	-0.211
4	F	-0.211

	x	y	z	Total
	-1.666	1.201	0.000	2.053
CHELPG
AIM
ESP

	x	y	z
x	1.375	-0.193	0.000
y	-0.193	1.653	0.000
z	0.000	0.000	2.205

<r²>	34.959
(<r²>)^1/2	5.913

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for NHF₂ (difluoramine)